6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine

C21H24FN5S — CID 45482783

IUPAC6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C21H24FN5S/c22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,17H,1-3,6-11H2
InChIKeyRWWMQYYGHIHOGU-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.35
Rot. Bonds3

About 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine

6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 45482783) has the molecular formula C21H24FN5S and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID45482783
Molecular FormulaC21H24FN5S
Molecular Weight397.52 g/mol
Exact Mass397.17
IUPAC Name6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C21H24FN5S/c22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,17H,1-3,6-11H2
InChIKeyRWWMQYYGHIHOGU-UHFFFAOYSA-N
XLogP4.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 45482783) is 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.
What is the InChIKey of 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is RWWMQYYGHIHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5S/c22-19-5-4-15(13-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-6-17(7-11-27)26-8-2-1-3-9-26/h4-5,12-14,17H,1-3,6-11H2.
What are the key properties of 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 397.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 45482783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).